REMARK Name = BDB004569 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.395 -2.409 -1.858 0.00 0.00 +0.035 A ATOM 2 C LIG 1 0.288 -2.316 -1.011 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -0.799 -3.202 -1.134 0.00 0.00 -0.029 A ATOM 4 C LIG 1 -0.743 -4.213 -2.104 0.00 0.00 +0.005 A ATOM 5 C LIG 1 0.367 -4.326 -2.940 0.00 0.00 +0.002 A ATOM 6 C LIG 1 1.430 -3.430 -2.816 0.00 0.00 +0.023 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 3.906 0.127 -1.144 0.00 0.00 -0.269 N ATOM 8 H LIG 1 4.606 -0.547 -1.416 0.00 0.00 +0.156 HD ATOM 9 C LIG 1 2.601 -0.344 -1.102 0.00 0.00 +0.308 C ATOM 10 N LIG 1 2.510 -1.548 -1.790 0.00 0.00 -0.269 N ATOM 11 H LIG 1 3.248 -1.726 -2.453 0.00 0.00 +0.156 HD ATOM 12 O LIG 1 1.666 0.221 -0.549 0.00 0.00 -0.252 OA BRANCH 7 15 ATOM 13 C LIG 1 6.358 2.747 -0.227 0.00 0.00 +0.122 A ATOM 14 C LIG 1 5.783 1.549 -0.673 0.00 0.00 +0.069 A ATOM 15 C LIG 1 4.394 1.362 -0.662 0.00 0.00 +0.038 A ATOM 16 C LIG 1 3.582 2.398 -0.204 0.00 0.00 +0.023 A ATOM 17 C LIG 1 4.149 3.594 0.246 0.00 0.00 +0.005 A ATOM 18 C LIG 1 5.534 3.770 0.238 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 8.359 3.971 0.165 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.724 2.784 -0.298 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 7 15 ENDBRANCH 1 10 BRANCH 3 21 ATOM 21 C LIG 1 -1.990 -3.105 -0.202 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 -2.419 -1.716 -0.092 0.00 0.00 -0.324 N ATOM 23 H LIG 1 -2.528 -1.289 -1.007 0.00 0.00 +0.148 HD BRANCH 22 24 ATOM 24 C LIG 1 -3.570 -1.486 0.685 0.00 0.00 +0.130 A ATOM 25 C LIG 1 -4.025 -0.164 0.870 0.00 0.00 +0.041 A ATOM 26 C LIG 1 -5.195 0.000 1.637 0.00 0.00 +0.088 A ATOM 27 C LIG 1 -5.676 1.316 1.817 0.00 0.00 +0.063 A ATOM 28 C LIG 1 -5.004 2.426 1.266 0.00 0.00 +0.015 A ATOM 29 C LIG 1 -3.842 2.253 0.533 0.00 0.00 +0.002 A ATOM 30 N LIG 1 -5.813 -1.077 2.175 0.00 0.00 -0.235 NA ATOM 31 C LIG 1 -5.271 -2.283 1.965 0.00 0.00 +0.223 A ATOM 32 C LIG 1 -3.356 0.968 0.337 0.00 0.00 +0.013 A ATOM 33 N LIG 1 -4.182 -2.541 1.246 0.00 0.00 -0.220 NA BRANCH 27 34 ATOM 34 C LIG 1 -6.913 1.636 2.598 0.00 0.00 +0.244 C ATOM 35 O LIG 1 -7.328 2.786 2.703 0.00 0.00 -0.270 OA ATOM 36 N LIG 1 -7.583 0.615 3.204 0.00 0.00 -0.325 N ATOM 37 H LIG 1 -7.256 -0.345 3.123 0.00 0.00 +0.145 HD ATOM 38 H LIG 1 -8.417 0.821 3.735 0.00 0.00 +0.145 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 7